N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

C16H22N4O2S — CID 53185322

IUPACN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-8-14(9-11-20)16-12-15(17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)
InChIKeyOLIPHIVWDJONIP-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.06
Rot. Bonds4

About N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide

N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (PubChem CID 53185322) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
PubChem CID53185322
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-8-14(9-11-20)16-12-15(17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18)
InChIKeyOLIPHIVWDJONIP-UHFFFAOYSA-N
XLogP2.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide (CID 53185322) is N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
The InChIKey is OLIPHIVWDJONIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19(2)23(21,22)20-10-8-14(9-11-20)16-12-15(17-18-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 53185322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).